2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine

C17H19N7O — CID 170649792

IUPAC2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine
SMILESNc1ccc(N2C3CCC2COC3)nc1Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C17H19N7O/c18-13-4-6-16(24-11-2-3-12(24)9-25-8-11)20-17(13)19-10-1-5-14-15(7-10)22-23-21-14/h1,4-7,11-12H,2-3,8-9,18H2,(H,19,20)(H,21,22,23)
InChIKeyVZTOVYHILIPZEC-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.05
Rot. Bonds3

About 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine

2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine (PubChem CID 170649792) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine
PubChem CID170649792
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine
SMILESNc1ccc(N2C3CCC2COC3)nc1Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C17H19N7O/c18-13-4-6-16(24-11-2-3-12(24)9-25-8-11)20-17(13)19-10-1-5-14-15(7-10)22-23-21-14/h1,4-7,11-12H,2-3,8-9,18H2,(H,19,20)(H,21,22,23)
InChIKeyVZTOVYHILIPZEC-UHFFFAOYSA-N
XLogP2.05
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine (CID 170649792) is 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine is Nc1ccc(N2C3CCC2COC3)nc1Nc1ccc2n[nH]nc2c1.
What is the InChIKey of 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine?
The InChIKey is VZTOVYHILIPZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c18-13-4-6-16(24-11-2-3-12(24)9-25-8-11)20-17(13)19-10-1-5-14-15(7-10)22-23-21-14/h1,4-7,11-12H,2-3,8-9,18H2,(H,19,20)(H,21,22,23).
What are the key properties of 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine?
2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine has a molecular weight of 337.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine is sourced from PubChem (CID 170649792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).